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BDBM50138095 (2-{2-[4-(7-Hydroxy-heptyl)-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-2-yl]-ethoxy}-phenyl)-acetic acid::CHEMBL175589

SMILES: OCCCCCCCN1C(=O)C(CCOc2ccccc2CC(O)=O)Oc2ccccc12

InChI Key: InChIKey=UPYPBDPTACIYLQ-UHFFFAOYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50138095   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50138095
PNG
((2-{2-[4-(7-Hydroxy-heptyl)-3-oxo-3,4-dihydro-2H-b...)
Show SMILES OCCCCCCCN1C(=O)C(CCOc2ccccc2CC(O)=O)Oc2ccccc12
Show InChI InChI=1S/C25H31NO6/c27-16-9-3-1-2-8-15-26-20-11-5-7-13-22(20)32-23(25(26)30)14-17-31-21-12-6-4-10-19(21)18-24(28)29/h4-7,10-13,23,27H,1-3,8-9,14-18H2,(H,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 149n/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Agonistic activity against PPAR (peroxisome proliferator activated receptor gamma) in Suarus chinesis


J Med Chem 47: 196-209 (2003)


Article DOI: 10.1021/jm0301888
BindingDB Entry DOI: 10.7270/Q29Z9495
More data for this
Ligand-Target Pair